6G0E
BRD4 (BD1) in complex with APSC-derived ligands
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-09 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.997100 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.482, 46.749, 78.347 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.145 - 1.613 |
| R-factor | 0.2347 |
| Rwork | 0.233 |
| R-free | 0.26080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mxf |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.555 |
| Data reduction software | XDS (1.11.2016) |
| Data scaling software | Aimless (CCP4 Package 7.0) |
| Phasing software | PHASER (2.6.1) |
| Refinement software | PHENIX (1.10.1-2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.145 | 40.145 | 1.650 |
| High resolution limit [Å] | 1.610 | 7.210 | 1.610 |
| Rmerge | 0.082 | 0.025 | 1.447 |
| Rmeas | 0.085 | 0.026 | 1.381 |
| Number of reflections | 16961 | 240 | 1203 |
| <I/σ(I)> | 17.71 | 70.68 | 1.93 |
| Completeness [%] | 99.9 | 99.6 | 98.3 |
| Redundancy | 12.66 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277 | 0.1 M sodium acetate pH 4.6, 3.5 M sodium formate, cryo protection: 20% glycero |
